UCSF

ZINC21811376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.89 12.61 -119.1 3 2 2 21 290.495 9
Hi High (pH 8-9.5) 4.89 10.24 -36.13 2 2 1 20 289.487 9
Hi High (pH 8-9.5) 4.89 11.64 -32.42 2 2 1 16 289.487 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )